2-amino-N-[4-(benzyloxy)phenyl]benzamide

• ChemBase ID: 279881
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: C(=O)(c1c(N)cccc1)Nc1ccc(OCc2ccccc2)cc1
• Canonical SMILES: O=C(c1ccccc1N)Nc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C20H18N2O2/c21-19-9-5-4-8-18(19)20(23)22-16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14,21H2,(H,22,23)
• InChIKey: BNVMFVLWUWDUCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[4-(benzyloxy)phenyl]benzamide
• IUPAC Traditional name: 2-amino-N-[4-(benzyloxy)phenyl]benzamide
• Synonyms: 2-amino-N-[4-(benzyloxy)phenyl]benzamide

Database IDs

• MDL Number: MFCD08445019
• PubChem SID: 164335791
• PubChem CID: 16228441

CALCULATED PROPERTIES

• Acid pKa: 12.120631
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.452772
• LogD (pH = 7.4): 4.452996
• Log P: 4.4530067
• Molar Refractivity: 97.3677 cm^3
• Polarizability: 36.19784 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.186

Product Information

• Purity: 95%